0 B9R0.7 C=C(C)C(=O)NC[C@H](C)O D94852 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 C=C(C)C(=O)OCCN 77919 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.8 C=C(C)C(=O)OCCO D70640 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.8 CC(C)C(=O)NCCN D86303 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.8 CCCCC(=O)C(C)C D91376 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.8 C[C@H](O)C(=O)NCCO D90852 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.9 CC(C)CNC(=O)CCl F20035 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.9 CCC(=O)NCC(C)C AC2518 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.9 COC(=O)CCN(C)C 32618 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.28 CC(C)CNCC(C)C D89689 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.28 CC(C)N=C=NC(C)C P17139 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.28 CC(O)COCC(C)O D78446 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.93 CC(C)C(=O)CC(=O)C(C)C F16709 [0,1,0,0,0,0|1,0,1]=3 14 B10R1.81 CC(C)C(=O)N1CC(O)C1 31801 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.211 CN(C)\C=C\C(=O)C1CC1 D97557 [0,0,0,1,0,0|2,0,1]=4 16 B8R0.23 C=C(C)C(=O)NC(C)C A11002 [0,0,0,0,1,0|1,0,2]=4 17 B8R0.23 CC(=O)C(=O)CC(C)C D84272 [0,0,0,0,1,0|1,0,1]=3 18 B8R0.23 CC(=O)CC(=O)C(C)C 76315 [0,0,0,0,1,0|1,0,1]=3 19 B8R0.23 CC(C)CC(=O)C(=O)O D82408 [0,0,0,0,1,0|2,0,1]=4 20 B8R0.23 CC(C)CC(=O)C(=O)[O-] F10915 [0,0,0,0,1,0|2,0,1]=4 21 B8R0.23 CC(C)OC(=O)[C@H](C)N 34399 [0,0,0,0,1,0|1,0,0]=2 22 B8R0.23 CC(C)OC(=O)[C@H](C)N F20403 [0,0,0,0,1,0|1,0,0]=2 23 B10R0.96 CC(=O)CC(=O)OCC(C)C D88331 [0,0,0,0,0,1|1,0,1]=3 24 B7R0.3 CCCCC(=O)CC D90783 [2,0,0,0,0,0|1,0,0]=3 25 B7R0.3 CCCOC(=O)OC D83836 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.4 CCCCOC(C)C D93400 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.5 CC(C)C(=O)CC#N 28992 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.5 CC(C)C(=O)OCBr D94295 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.5 CC(C)C(=O)OCCl P11842 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.5 CCCC(=O)C(C)C D91358 [2,0,0,0,0,0|0,0,0]=2 31 B7R0.5 CCOC(=O)C(C)=O D72526 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.5 CCOC(=O)C(F)F FD2077 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.5 CCOC(=O)N(C)C A10839 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.5 CCOC(=O)[C@@H](F)Br 76577 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.5 CCOC(=O)[C@@H](F)Cl 76578 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.5 CCOC(=O)[C@H](C)F 28664 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.5 CCOC(=O)[C@H](C)I D90599 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.5 CCOC(=O)[C@H](C)N 75100 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.5 CCOC(=O)[C@H](C)O 35087 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.5 CCOC(=O)[C@H](C)S D81899 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.5 CNCC(=O)N(C)C C77998 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.6 C=C(C)COC(C)=O D88456 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.6 CC(=O)CCN(C)C D82201 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.6 CC(=O)OCC(F)F F20444 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.6 CC(C)CCC(=O)O 28835 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.6 CC(C)COC(=S)[S-] D97186 [2,0,0,0,0,0|1,1,0]=4 51 B9R0.3 CC(C)(Br)C(=O)OCCO D97663 [1,1,0,0,0,0|1,0,0]=3 52 B9R0.6 CCOC(=O)C(=O)C(C)C 76551 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.8 CCCOC(=O)[C@@H](C)CC D92159 [1,1,0,0,0,0|0,0,0]=2 54 B9R0.47 CCCCOC(=O)[C@H](C)N 36325 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.47 CCCCOC(=O)[C@H](C)O D70202 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.23 CC(C)C[C@H](N)C(=O)CCl FD21939 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.23 CCC(=O)[C@@H](C)CN(C)C 35938 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD21898 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD3053 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.23 COC(=O)[C@@H](O)CC(C)C D80572 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.48 CCOC(=O)CCC(C)C D81903 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.10 CC(C)OC(=O)C(C)(C)Br F20342 [0,1,0,0,1,0|0,0,0]=2 63 B9R0.10 CC(C)OC(=O)C(F)(F)F D92522 [0,1,0,0,1,0|2,0,0]=4 64 B9R0.57 C=C(C)C(=O)OC(C)(C)C F20306 [0,1,0,0,1,0|0,0,2]=4 65 B9R0.57 CN(N)C(=O)OC(C)(C)C 23529 [0,1,0,0,1,0|2,0,0]=4 66 B9R0.57 CN(O)C(=O)OC(C)(C)C D71132 [0,1,0,0,1,0|2,0,0]=4 67 B9R0.57 C[C@H](Br)C(=O)OC(C)(C)C 20451 [0,1,0,0,1,0|1,0,0]=3 68 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C 23381 [0,1,0,0,1,0|1,0,0]=3 69 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C D80969 [0,1,0,0,1,0|1,0,0]=3 70 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C D97549 [0,1,0,0,1,0|1,0,0]=3 71 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C FD21007 [0,1,0,0,1,0|1,0,0]=3 72 B9R0.79 CC(C)C(=O)[C@@H](O)C(C)C 73834 [0,1,0,0,1,0|0,0,0]=2 73 B11R0.34 CC(C)NNC(=O)OC(C)(C)C 36489 [0,1,0,0,0,1|2,0,0]=4 74 B11R0.34 C[C@H](Br)CNC(=O)OC(C)(C)C 32456 [0,1,0,0,0,1|2,0,0]=4 75 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C AR2177 [0,1,0,0,0,1|2,0,0]=4 76 B11R0.34 C[C@H](O)CNC(=O)OC(C)(C)C 86283 [0,1,0,0,0,1|2,0,0]=4 77 B11R0.34 C[C@H](O)CNC(=O)OC(C)(C)C 86343 [0,1,0,0,0,1|2,0,0]=4 78 B11R0.34 C[C@H](O)CNC(=O)OC(C)(C)C 87518 [0,1,0,0,0,1|2,0,0]=4 79 B11R0.120 CCC(C)COC(=O)C(C)CC D91360 [0,2,0,0,0,0|0,0,0]=2 80 B11R0.21 CCC(CC)COC(=O)[C@H](C)N C91696 [0,2,0,0,0,0|1,0,0]=3 81 B9R1.5 CN1CCCCCC1=O F20350 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.5 N[C@H]1CCCCNC1=O 36347 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.5 N[C@H]1CCCCNC1=O 52018 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.5 N[C@H]1CCCCNC1=O A56019 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.5 N[C@H]1CCCCNC1=O A56021 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.40 CC1(C)CCCCC1=O 25898 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.40 CC1(C)CNCCC1=O 84109 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.40 CC1(C)CNCCC1=O FD10497 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.40 CC1(C)NCCNC1=O 37871 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.69 C[C@H]1CN(C)CCC1=O 68472 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.10 CC1(C)C=CC(=O)CC1 CL3492 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.10 CC1(C)CCC(=O)CC1 35448 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.10 CC1(C)COC(=O)OC1 F51892 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.10 C[N+]1(C)CCC(=O)CC1 AB10340 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.49 CN1CCCC(=O)CC1 34283 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.138 CC1(C)COC(=O)C1=O C72205 [1,0,0,1,0,0|1,0,1]=4 98 B9R1.138 CC1(C)COC(=O)[C@H]1O 30286 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.138 CC1(C)COC(=O)[C@H]1O 64980 [1,0,0,1,0,0|1,0,0]=3 100 B9R1.138 CC1(C)COC(=O)[C@H]1O AC1149 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.85 CC(C)COC[C@H]1CO1 D96039 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.38 CC1(C)CC(=O)OC1=O O10903 [0,0,0,1,1,0|1,0,1]=4 103 B9R1.137 CC(=O)CC(=O)C1CC1 O10401 [0,0,0,1,1,0|1,0,1]=4 104 B11R1.221 CC1(C)COC(=O)C(C)(C)N1 86821 [0,1,0,1,0,0|0,0,0]=2 105 B11R1.166 CC(C)=C1CC[C@H](C)CC1=O 23142 [0,1,0,1,0,0|1,0,1]=4 106 B11R1.166 CC1CCC(C(C)C)C(=O)C1 E70428 [0,1,0,1,0,0|1,0,1]=4 107 B11R1.1361 C[C@H]1CC(C)(C)CC(=O)C1=O D71203 [0,1,0,1,0,0|1,0,0]=3 108 B7R0.2 CC(C)NC(=O)CCl AC1584 [1,0,0,0,1,0|2,0,0]=4 109 B7R0.2 CC(C)OC(=O)CO 77517 [1,0,0,0,1,0|1,0,0]=3 110 B7R0.2 CCC(=O)CC(C)=O 24687 [1,0,0,0,1,0|1,0,1]=4 111 B7R0.2 CCC(=O)CC(C)C D90471 [1,0,0,0,1,0|0,0,0]=2 112 B7R0.2 CCC(=O)OC(C)=O 27049 [1,0,0,0,1,0|1,0,1]=4 113 B7R0.2 COC(=O)CC(C)C 79108 [1,0,0,0,1,0|1,0,0]=3 114 B7R0.2 COC(=O)CN(C)C H10578 [1,0,0,0,1,0|2,0,0]=4 115 B7R0.2 COC(=O)C[C@H](C)Br O11908 [1,0,0,0,1,0|2,0,0]=4 116 B7R0.2 COC(=O)C[C@H](C)N 75000 [1,0,0,0,1,0|2,0,0]=4 117 B7R0.2 COC(=O)C[C@H](C)N 75001 [1,0,0,0,1,0|2,0,0]=4 118 B7R0.2 COC(=O)C[C@H](C)N F14792 [1,0,0,0,1,0|2,0,0]=4 119 B7R0.2 COC(=O)C[C@H](C)O AC7720 [1,0,0,0,1,0|2,0,0]=4 120 B7R0.2 COC(=O)C[C@H](C)O C14861 [1,0,0,0,1,0|2,0,0]=4 121 B7R0.2 COC(=O)C[C@H](C)O F15447 [1,0,0,0,1,0|2,0,0]=4 122 B7R0.16 CC(C)C(=O)N(C)C 76709 [0,0,0,0,2,0|1,0,0]=3 123 B7R0.16 CC(C)C(=O)[C@H](C)Br AC1549 [0,0,0,0,2,0|1,0,0]=3 124 B7R0.16 CC(C)C(N)C(C)C F19859 [0,0,0,0,2,0|1,0,1]=4 125 B7R0.16 CC(C)C(N)C(C)C O10602 [0,0,0,0,2,0|1,0,1]=4 126 B7R0.16 CC(C)P(Cl)C(C)C D89452 [0,0,0,0,2,0|2,0,0]=4 127 B7R0.16 CC(C)[SiH](Cl)C(C)C D81875 [0,0,0,0,2,0|1,1,0]=4 128 B7R0.16 CN(C)C(=O)N(C)C D70479 [0,0,0,0,2,0|2,0,0]=4 129 B9R0.55 CC(C)NCCNC(C)C F16687 [1,0,0,0,0,1|2,0,0]=4 130 B11R0.6 CC(C)CCOC(=O)CC(C)C D97798 [0,0,0,0,0,2|0,0,0]=2